CID 374007

Nsc651081

Structural Information

Molecular Formula
C13H13N3O4
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C
InChI
InChI=1S/C13H13N3O4/c1-5-8(14-6(2)17)12(20)9-10(11(5)19)16-4-3-7(18)13(16)15-9/h7,18H,3-4H2,1-2H3,(H,14,17)
InChIKey
WRAMKCTUNQLRAM-UHFFFAOYSA-N
Compound name
N-(3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 160.1
[M+Na]+ 298.07982 170.3
[M-H]- 274.08332 163.0
[M+NH4]+ 293.12442 179.0
[M+K]+ 314.05376 166.9
[M+H-H2O]+ 258.08786 154.7
[M+HCOO]- 320.08880 178.7
[M+CH3COO]- 334.10445 200.9
[M+Na-2H]- 296.06527 160.4
[M]+ 275.09005 161.6
[M]- 275.09115 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.